Crystallography Open Database

Information card for entry 4038271

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Structure parameters

Formula	C24 H19 N O3
Calculated formula	C24 H19 N O3
SMILES	O(C(=O)C(=C1\c2c(N(C1=O)Cc1ccccc1)cccc2)\c1ccccc1)C
Title of publication	Stereoselective Synthesis of (E)-3-alkylideneoxindoles via Gold(I)-Catalyzed Cross-Coupling of 3-Diazooxindoles with Diazoesters.
Authors of publication	Cheng, Haiyang; Yao, Xinbo; Yin, Shiwei; Wang, Tao; Zhang, Zunting
Journal of publication	The Journal of organic chemistry
Year of publication	2020
a	8.3224 ± 0.0008 Å
b	20.45 ± 0.002 Å
c	11.4338 ± 0.0011 Å
α	90°
β	98.814 ± 0.004°
γ	90°
Cell volume	1923 ± 0.3 Å³
Cell temperature	283 K
Ambient diffraction temperature	283.19 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301828 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure.	4038271.cif
250896	2020-04-17	cif/ Adding structures of 4038271 via cif-deposit CGI script.	4038271.cif